CID 57741596

1159733-73-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(=O)C1(CC1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H17NO3/c1-7(12)10(5-6-10)11-8(13)14-9(2,3)4/h5-6H2,1-4H3,(H,11,13)

InChIKey

MKIPOIJQGKXCFG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-acetylcyclopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 199.12085 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.12813	144.9
[M+Na]+	222.11007	152.9
[M-H]-	198.11357	149.7
[M+NH4]+	217.15467	161.2
[M+K]+	238.08401	152.3
[M+H-H2O]+	182.11811	140.8
[M+HCOO]-	244.11905	166.0
[M+CH3COO]-	258.13470	189.2
[M+Na-2H]-	220.09552	150.4
[M]+	199.12030	149.6
[M]-	199.12140	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe